About N-[1-(2-carbamoylpyrrolidin-1-yl)-1-oxo-3-[4-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-5-oxopyrrolidine-2-carboxamide
N-[1-(2-carbamoylpyrrolidin-1-yl)-1-oxo-3-[4-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 14754221) has the molecular formula C17H21F3N6O4
and a molecular weight of 430.39 g/mol. Its IUPAC name is N-[1-(2-carbamoylpyrrolidin-1-yl)-1-oxo-3-[4-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-5-oxopyrrolidine-2-carboxamide.
Molecular Properties
| Compound Name | N-[1-(2-carbamoylpyrrolidin-1-yl)-1-oxo-3-[4-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-5-oxopyrrolidine-2-carboxamide |
|---|
| PubChem CID | 14754221 |
|---|
| Molecular Formula | C17H21F3N6O4 |
|---|
| Molecular Weight | 430.39 g/mol |
|---|
| Exact Mass | 430.16 |
|---|
| IUPAC Name | N-[1-(2-carbamoylpyrrolidin-1-yl)-1-oxo-3-[4-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-5-oxopyrrolidine-2-carboxamide |
|---|
| SMILES | NC(=O)C1CCCN1C(=O)C(Cc1[nH]cnc1C(F)(F)F)NC(=O)C1CCC(=O)N1 |
|---|
| InChI | InChI=1S/C17H21F3N6O4/c18-17(19,20)13-9(22-7-23-13)6-10(25-15(29)8-3-4-12(27)24-8)16(30)26-5-1-2-11(26)14(21)28/h7-8,10-11H,1-6H2,(H2,21,28)(H,22,23)(H,24,27)(H,25,29) |
|---|
| InChIKey | BLZCMBVLLZFPFJ-UHFFFAOYSA-N |
|---|
| XLogP | -0.79 |
|---|
| TPSA | 150.28 Ų |
|---|
| H-Bond Donors | 4 |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 30 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 430.39 |
| LogP ≤ 5 | -0.79 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze N-[1-(2-carbamoylpyrrolidin-1-yl)-1-oxo-3-[4-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-5-oxopyrrolidine-2-carboxamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of N-[1-(2-carbamoylpyrrolidin-1-yl)-1-oxo-3-[4-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(2-carbamoylpyrrolidin-1-yl)-1-oxo-3-[4-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 14754221) is N-[1-(2-carbamoylpyrrolidin-1-yl)-1-oxo-3-[4-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(2-carbamoylpyrrolidin-1-yl)-1-oxo-3-[4-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(2-carbamoylpyrrolidin-1-yl)-1-oxo-3-[4-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-5-oxopyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)C(Cc1[nH]cnc1C(F)(F)F)NC(=O)C1CCC(=O)N1.
What is the InChIKey of N-[1-(2-carbamoylpyrrolidin-1-yl)-1-oxo-3-[4-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is BLZCMBVLLZFPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6O4/c18-17(19,20)13-9(22-7-23-13)6-10(25-15(29)8-3-4-12(27)24-8)16(30)26-5-1-2-11(26)14(21)28/h7-8,10-11H,1-6H2,(H2,21,28)(H,22,23)(H,24,27)(H,25,29).
What are the key properties of N-[1-(2-carbamoylpyrrolidin-1-yl)-1-oxo-3-[4-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
N-[1-(2-carbamoylpyrrolidin-1-yl)-1-oxo-3-[4-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 430.39 g/mol, XLogP of -0.79, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-carbamoylpyrrolidin-1-yl)-1-oxo-3-[4-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 14754221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).